2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H14F3NO3 — CID 82719350

IUPAC2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1OCCC1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-7(2-3-16-6)13(4-8(14)15)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDJFUNRQBJMTVKO-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds4

About 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 82719350) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID82719350
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1OCCC1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-7(2-3-16-6)13(4-8(14)15)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyDJFUNRQBJMTVKO-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-Dimethylpyrrolidin-3-yl) 2,2,2-trifluoroacetate
CID 20701096
[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
CID 163286789
[2-[Methyl(oxolan-3-yl)amino]acetyl] 2,2,2-trifluoroacetate
CID 175223197
2-[Methyl(oxolan-3-yl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 175223198
2-{Methyl[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amino}acetic acid
CID 54594389
Ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
CID 63902331
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[Oxolan-3-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258763
2-[Oxan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258792
2-[(2-Methyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266718
3,3,3-Trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid
CID 82740497
4,4,4-Trifluoro-3-[methyl-(2-methyloxolan-3-yl)amino]butanoic acid
CID 82753594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 82719350) is 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1OCCC1N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DJFUNRQBJMTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6-7(2-3-16-6)13(4-8(14)15)5-9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 82719350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).